(4-acetyloxyphenoxy)-[2-(6-aminopurin-9-yl)oxyethoxymethyl]phosphinic acid

Systemtic Name: (4-acetyloxyphenoxy)-[2-(6-aminopurin-9-yl)oxyethoxymethyl]phosphinic acid Openeye Name: (4-acetoxyphenoxy)-[2-(6-aminopurin-9-yl)oxyethoxymethyl]phosphinic acid CAS Name: (4-acetyloxyphenoxy)-[2-(6-aminopurin-9-yl)oxyethoxymethyl]phosphinic acid IUPAC Name: (4-acetyloxyphenoxy)-[2-(6-aminopurin-9-yl)oxyethoxymethyl]phosphinic acid Traditional Name: (4-acetoxyphenoxy)-(2-adenin-9-yloxyethoxymethyl)phosphinic acid Formula: C16H18N5O7P MolecularWeight: 423.317181

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)OP(=O)(COCCON2C=NC3=C2N=CN=C3N)O

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)OP(=O)(COCCON2C=NC3=C2N=CN=C3N)O

InChI

InChI=1S/C16H18N5O7P/c1-11(22)27-12-2-4-13(5-3-12)28-29(23,24)10-25-6-7-26-21-9-20-14-15(17)18-8-19-16(14)21/h2-5,8-9H,6-7,10H2,1H3,(H,23,24)(H2,17,18,19)